Chemoinformaics analysis of Trimyristin
Molecular Weight | 723.177 | nRot | 41 |
Heavy Atom Molecular Weight | 636.489 | nRig | 2 |
Exact Molecular Weight | 722.642 | nRing | 0 |
Solubility: LogS | -2.313 | nHRing | 0 |
Solubility: LogP | 3.062 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 137 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 51 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 86 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 45 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 137.306 |
nHD | 0 | BPOL | 94.0878 |
QED | 0.46 |
Synth | 2.727 |
Natural Product Likeliness | 2.256 |
NR-PPAR-gamma | 0.052 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.123 |
HIA | 0.004 |
CACO-2 | -4.264 |
MDCK | 0.0000639 |
BBB | 0.916 |
PPB | 0.772691 |
VDSS | 1.189 |
FU | 0.232475 |
CYP1A2-inh | 0.539 |
CYP1A2-sub | 0.289 |
CYP2c19-inh | 0.065 |
CYP2c19-sub | 0.122 |
CYP2c9-inh | 0.026 |
CYP2c9-sub | 0.825 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.213 |
CYP3a4-inh | 0.1 |
CYP3a4-sub | 0.121 |
CL | 11.782 |
T12 | 0.82 |
hERG | 0.007 |
Ames | 0.058 |
ROA | 0.01 |
SkinSen | 0.95 |
Carcinogencity | 0.411 |
EI | 0.992 |
Respiratory | 0.148 |
NR-Aromatase | 0.021 |
Antiviral | Yes |
Prediction | 0.739812 |